============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 31 0.900 28.475 2.201 -37.608 -99.200 -91.000 TYR 37 0.840 24.844 4.643 -40.810 -99.200 -91.000 HIS 39 0.900 21.589 10.153 -42.066 -99.200 -91.000 TRP 40 1.040 22.901 16.743 -46.889 -99.200 -91.000 TRP6 40 1.020 23.985 18.801 -46.478 -99.200 -91.000 TYR 41 0.840 17.183 15.261 -40.677 -99.200 -91.000 TYR 54 0.840 17.958 7.017 -46.931 -99.200 -91.000 PHE 60 1.000 12.179 9.473 -45.562 -99.200 -91.000 PHE 67 1.000 15.174 19.710 -52.427 -99.200 -91.000 PHE 76 1.000 30.032 13.648 -45.902 -99.200 -91.000 PHE 88 1.000 11.711 31.004 -46.149 -99.200 -91.000 TYR 91 0.840 17.097 23.460 -47.725 -99.200 -91.000 TYR 92 0.840 19.183 23.011 -39.115 -99.200 -91.000 TRP 101 1.040 23.162 9.578 -32.927 -99.200 -91.000 TRP6 101 1.020 20.973 8.729 -33.174 -99.200 -91.000 PHE 103 1.000 20.500 17.313 -35.768 -99.200 -91.000 PHE 121 1.000 -3.732 47.587 -46.513 -99.200 -91.000 PHE 123 1.000 -4.792 47.919 -39.800 -99.200 -91.000 PHE 144 1.000 7.726 43.813 -47.333 -99.200 -91.000 TYR 145 0.840 12.670 39.592 -53.072 -99.200 -91.000 TRP 153 1.040 5.729 53.877 -36.668 -99.200 -91.000 TRP6 153 1.020 3.384 53.810 -36.955 -99.200 -91.000 TYR 178 0.840 10.845 38.113 -47.182 -99.200 -91.000 TYR 191 0.840 -3.744 57.808 -29.781 -99.200 -91.000 HIS 194 0.900 2.217 64.866 -29.709 -99.200 -91.000 TYR 197 0.840 -0.817 59.831 -33.038 -99.200 -91.000 HIS 203 0.900 10.045 47.262 -51.053 -99.200 -91.000 PHE 214 1.000 -4.419 57.213 -36.461 -99.200 -91.000